当前位置: X-MOL 学术Chem. Pap. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Sonochemical synthesis, crystal structure, and DFT calculation of an innovative nanosized Pb(II)-azido metal–organic coordination polymer as a precursor for preparation of PbO nanorod
Chemical Papers ( IF 2.1 ) Pub Date : 2020-05-20 , DOI: 10.1007/s11696-020-01193-3
Younes Hanifehpour , Babak Mirtamizdoust , Hossein Ahmadi , Ruiyao Wang , Sang Woo Joo

A sonochemical synthesis was performed to synthesize nanosheets of an innovative lead (II) metal–organic coordination polymer (CP) [(PbN3Q)2]n (1) (Q = 8-hydroxyquinolinate). For precise characterization, scanning electron microscopy, elemental analysis, IR spectroscopy, X-ray powder diffraction, and single-crystal X-ray diffraction scrutiny were conducted. The X-ray structural examination indicated that 1 was a 1D chain with the two neighboring Pb(II) centers bridged together by two O atoms from two Q ligands and two N3 using their two terminal N atoms. Pb(II) had a coordination number of 7 with an asymmetrical coordination geometry. The contiguous chains were linked by the ππ interactions with the aromatic circles of Q from the chains adjacent to each other. Therefore, these weak interactions facilitated the construction of a 3D metal–organic CP using the basic 1D building block. Density functional theory was used to optimize the title complex structure. The computed natural bond orbital burdens suggested that its ascription to the Pb…Pb contacts in the chains may have been attributed to the scant positive burden in the lead (II) ions. In summary, PbO nonorods were simply synthesized by thermolysis of 1 at 180 °C using oleic acid as the surfactant.

中文翻译:

声化学合成,晶体结构和创新的纳米级Pb(II)-叠氮基金属-有机配位聚合物的DFT计算,以制备PbO纳米棒

进行了声化学合成,以合成创新的铅(II)金属-有机配位聚合物(CP)[(PbN 3 Q)2 ] n1)(Q  = 8-羟基喹啉酸酯)的纳米片。为了精确表征,进行了扫描电子显微镜,元素分析,IR光谱,X射线粉末衍射和单晶X射线衍射检查。X射线结构检查表明,1是一维链与所述两个相邻的Pb(II)中心桥接在一起通过两个氧原子从两个Q -配体和两个N 3 -使用它们的两个末端N原子。Pb(II)的配位数为7,配位几何形状不对称。连续链是由连接的π - π与Q的芳族界的相互作用-从彼此相邻的链。因此,这些弱相互作用促进了使用基本的1D构建块构建3D金属有机CP的过程。密度泛函理论用于优化标题复杂结构。计算得出的自然键轨道负荷表明,其归因于链中Pb…Pb接触可能归因于铅(II)离子的正负荷少。总之,使用油酸作为表面活性剂,通过在180°C下热分解1即可简单地合成PbO非正离子。
更新日期:2020-05-20
down
wechat
bug